5-(furan-2-yl)-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole

Systemtic Name: 5-(furan-2-yl)-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 5-(2-furyl)-3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-(2-furanyl)-3-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]isoxazole IUPAC Name: 5-(furan-2-yl)-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 5-(2-furyl)-3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C16H18N3O4S2+ MolecularWeight: 380.46182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H17N3O4S2/c20-25(21,16-4-2-10-24-16)19-7-5-18(6-8-19)12-13-11-15(23-17-13)14-3-1-9-22-14/h1-4,9-11H,5-8,12H2/p+1